Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.5 BDBM50195916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50195916 (CHEMBL240653 | N-((5-isopropyl-2,4,6-trioxo-hexahy...) Show SMILES CC(C)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H26N4O5/c1-15(2)26(23(32)29-25(34)30-24(26)33)14-27-22(31)17-8-10-19(11-9-17)35-13-18-12-16(3)28-21-7-5-4-6-20(18)21/h4-12,15H,13-14H2,1-3H3,(H,27,31)(H2,29,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50195916 (CHEMBL240653 | N-((5-isopropyl-2,4,6-trioxo-hexahy...) Show SMILES CC(C)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H26N4O5/c1-15(2)26(23(32)29-25(34)30-24(26)33)14-27-22(31)17-8-10-19(11-9-17)35-13-18-12-16(3)28-21-7-5-4-6-20(18)21/h4-12,15H,13-14H2,1-3H3,(H,27,31)(H2,29,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50195916 (CHEMBL240653 | N-((5-isopropyl-2,4,6-trioxo-hexahy...) Show SMILES CC(C)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H26N4O5/c1-15(2)26(23(32)29-25(34)30-24(26)33)14-27-22(31)17-8-10-19(11-9-17)35-13-18-12-16(3)28-21-7-5-4-6-20(18)21/h4-12,15H,13-14H2,1-3H3,(H,27,31)(H2,29,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP12				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50195916 (CHEMBL240653 | N-((5-isopropyl-2,4,6-trioxo-hexahy...) Show SMILES CC(C)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H26N4O5/c1-15(2)26(23(32)29-25(34)30-24(26)33)14-27-22(31)17-8-10-19(11-9-17)35-13-18-12-16(3)28-21-7-5-4-6-20(18)21/h4-12,15H,13-14H2,1-3H3,(H,27,31)(H2,29,30,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50195916 (CHEMBL240653 | N-((5-isopropyl-2,4,6-trioxo-hexahy...) Show SMILES CC(C)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C26H26N4O5/c1-15(2)26(23(32)29-25(34)30-24(26)33)14-27-22(31)17-8-10-19(11-9-17)35-13-18-12-16(3)28-21-7-5-4-6-20(18)21/h4-12,15H,13-14H2,1-3H3,(H,27,31)(H2,29,30,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine TACE				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
					More data for this Ligand-Target Pair